methyl 2-amino-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C20H18N4O4 — CID 987501

IUPACmethyl 2-amino-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOC(=O)c1c(N)n(-c2ccc(OC)c(OC)c2)c2nc3ccccc3nc12
InChIInChI=1S/C20H18N4O4/c1-26-14-9-8-11(10-15(14)27-2)24-18(21)16(20(25)28-3)17-19(24)23-13-7-5-4-6-12(13)22-17/h4-10H,21H2,1-3H3
InChIKeyUULMNDBSIBOUCG-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.96
Rot. Bonds4

About methyl 2-amino-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

methyl 2-amino-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 987501) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is methyl 2-amino-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID987501
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Namemethyl 2-amino-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOC(=O)c1c(N)n(-c2ccc(OC)c(OC)c2)c2nc3ccccc3nc12
InChIInChI=1S/C20H18N4O4/c1-26-14-9-8-11(10-15(14)27-2)24-18(21)16(20(25)28-3)17-19(24)23-13-7-5-4-6-12(13)22-17/h4-10H,21H2,1-3H3
InChIKeyUULMNDBSIBOUCG-UHFFFAOYSA-N
XLogP2.96
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of methyl 2-amino-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 987501) is methyl 2-amino-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for methyl 2-amino-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for methyl 2-amino-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is COC(=O)c1c(N)n(-c2ccc(OC)c(OC)c2)c2nc3ccccc3nc12.
What is the InChIKey of methyl 2-amino-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is UULMNDBSIBOUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-26-14-9-8-11(10-15(14)27-2)24-18(21)16(20(25)28-3)17-19(24)23-13-7-5-4-6-12(13)22-17/h4-10H,21H2,1-3H3.
What are the key properties of methyl 2-amino-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
methyl 2-amino-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 378.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-1-(3,4-dimethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 987501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).